N-[3-(benzenesulfonylmethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

C18H21ClN2O3S — CID 119320762

IUPACN-[3-(benzenesulfonylmethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)C1CCCN1
InChIInChI=1S/C18H20N2O3S.ClH/c21-18(17-10-5-11-19-17)20-15-7-4-6-14(12-15)13-24(22,23)16-8-2-1-3-9-16;/h1-4,6-9,12,17,19H,5,10-11,13H2,(H,20,21);1H
InChIKeyTYWRRZDEJDLBTA-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.77
Rot. Bonds5

About N-[3-(benzenesulfonylmethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

N-[3-(benzenesulfonylmethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119320762) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-[3-(benzenesulfonylmethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(benzenesulfonylmethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119320762
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-[3-(benzenesulfonylmethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)C1CCCN1
InChIInChI=1S/C18H20N2O3S.ClH/c21-18(17-10-5-11-19-17)20-15-7-4-6-14(12-15)13-24(22,23)16-8-2-1-3-9-16;/h1-4,6-9,12,17,19H,5,10-11,13H2,(H,20,21);1H
InChIKeyTYWRRZDEJDLBTA-UHFFFAOYSA-N
XLogP2.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide
CID 119320769
(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119288736
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
N-[3-(benzylsulfinylmethyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119327157
N-[3-(3-phenylpropanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 146258006
N-[3-(hydroxymethyl)phenyl]azepane-2-carboxamide
CID 64561657
N-[3-(cyclopropylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711574
(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide
CID 103808988
N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119306246
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43433017

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonylmethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(benzenesulfonylmethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119320762) is N-[3-(benzenesulfonylmethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(benzenesulfonylmethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(benzenesulfonylmethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)C1CCCN1.
What is the InChIKey of N-[3-(benzenesulfonylmethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is TYWRRZDEJDLBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S.ClH/c21-18(17-10-5-11-19-17)20-15-7-4-6-14(12-15)13-24(22,23)16-8-2-1-3-9-16;/h1-4,6-9,12,17,19H,5,10-11,13H2,(H,20,21);1H.
What are the key properties of N-[3-(benzenesulfonylmethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[3-(benzenesulfonylmethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 380.90 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonylmethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119320762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).